3-amino-4-hydroxybenzohydrazide;dihydrochloride

C7H11Cl2N3O2 — CID 22411252

IUPAC3-amino-4-hydroxybenzohydrazide;dihydrochloride
SMILESCl.Cl.NNC(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C7H9N3O2.2ClH/c8-5-3-4(7(12)10-9)1-2-6(5)11;;/h1-3,11H,8-9H2,(H,10,12);2*1H
InChIKeyAWZYXFXUHMBXOH-UHFFFAOYSA-N
MW240.09 g/mol
LogP0.42
Rot. Bonds1

About 3-amino-4-hydroxybenzohydrazide;dihydrochloride

3-amino-4-hydroxybenzohydrazide;dihydrochloride (PubChem CID 22411252) has the molecular formula C7H11Cl2N3O2 and a molecular weight of 240.09 g/mol. Its IUPAC name is 3-amino-4-hydroxybenzohydrazide;dihydrochloride.

Molecular Properties

Compound Name3-amino-4-hydroxybenzohydrazide;dihydrochloride
PubChem CID22411252
Molecular FormulaC7H11Cl2N3O2
Molecular Weight240.09 g/mol
Exact Mass239.02
IUPAC Name3-amino-4-hydroxybenzohydrazide;dihydrochloride
SMILESCl.Cl.NNC(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C7H9N3O2.2ClH/c8-5-3-4(7(12)10-9)1-2-6(5)11;;/h1-3,11H,8-9H2,(H,10,12);2*1H
InChIKeyAWZYXFXUHMBXOH-UHFFFAOYSA-N
XLogP0.42
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-fluorobenzohydrazide;hydrochloride
CID 131133629
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CID 13149470
3-amino-N-(3-amino-4-hydroxyphenyl)-4-hydroxybenzamide
CID 142370763
3-chloro-4-hydroxybenzohydrazide
CID 10954268
3-amino-4-hydroxybenzoic acid
CID 161134080
3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide
CID 66965766
3-amino-N-(2-cyclohexylethyl)-4-hydroxybenzamide
CID 91584143
tert-butyl N-[(3-amino-4-hydroxybenzoyl)amino]carbamate
CID 67765806
1-(3-amino-4-hydroxyphenyl)-2-methylpropan-1-one
CID 82064058
3-hydroxynaphthalene-2,7-dicarbohydrazide
CID 23149584
3-amino-N-(3-amino-4-hydroxyphenyl)-4-(2-hydroxyphenyl)benzamide
CID 118519914
3-amino-4-hydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide
CID 59091698

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxybenzohydrazide;dihydrochloride?
The IUPAC name of 3-amino-4-hydroxybenzohydrazide;dihydrochloride (CID 22411252) is 3-amino-4-hydroxybenzohydrazide;dihydrochloride.
What is the SMILES notation for 3-amino-4-hydroxybenzohydrazide;dihydrochloride?
The canonical SMILES for 3-amino-4-hydroxybenzohydrazide;dihydrochloride is Cl.Cl.NNC(=O)c1ccc(O)c(N)c1.
What is the InChIKey of 3-amino-4-hydroxybenzohydrazide;dihydrochloride?
The InChIKey is AWZYXFXUHMBXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2.2ClH/c8-5-3-4(7(12)10-9)1-2-6(5)11;;/h1-3,11H,8-9H2,(H,10,12);2*1H.
What are the key properties of 3-amino-4-hydroxybenzohydrazide;dihydrochloride?
3-amino-4-hydroxybenzohydrazide;dihydrochloride has a molecular weight of 240.09 g/mol, XLogP of 0.42, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxybenzohydrazide;dihydrochloride is sourced from PubChem (CID 22411252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).